Geometry & MOs

Info

ID:

95758

PubChem CID:

50013691

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-265.7

Dipole, Da:

9.35

IP(EA), eV:

 -8.91(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(piperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations